ICLR 2025 论文列表

Task automation has been greatly empowered by the recent advances in Large Language Models (LLMs) via Python code, where the tasks range from software engineering development to general-purpose reasoning. While current benchmarks have shown that LLMs can solve tasks using programs like human developers, the majority of their evaluations are limited to short and self-contained algorithmic tasks or standalone function calls. Solving challenging and practical tasks requires the capability of utilizing **diverse function calls as tools** to efficiently implement functionalities like data analysis and web development. In addition, using multiple tools to solve a task needs compositional reasoning by accurately understanding **complex instructions**. Fulfilling both of these characteristics can pose a great challenge for LLMs. To assess how well LLMs can solve challenging and practical tasks via programs, we introduce BigCodeBench, a benchmark that challenges LLMs to invoke multiple function calls as tools from 139 libraries and 7 domains for 1,140 fine-grained tasks. To evaluate LLMs rigorously, each task encompasses 5.6 test cases with an average branch coverage of 99%. In addition, we propose a natural-language-oriented variant of BigCodeBench, BigCodeBench-Instruct, that automatically transforms the original docstrings into short instructions containing only essential information. Our extensive evaluation of 60 LLMs shows that **LLMs are not yet capable of following complex instructions to use function calls precisely, with scores up to 60%, significantly lower than the human performance of 97%**. The results underscore the need for further advancements in this area.

Adapting pretrained image-based diffusion models to generate temporally consistent videos has become an impactful generative modeling research direction. Training-free noise-space manipulation has proven to be an effective technique, where the challenge is to preserve the Gaussian white noise distribution while adding in temporal consistency. Recently, Chang et al. (2024) formulated this problem using an integral noise representation with distribution-preserving guarantees, and proposed an upsampling-based algorithm to compute it. However, while their mathematical formulation is advantageous, the algorithm incurs a high computational cost. Through analyzing the limiting-case behavior of their algorithm as the upsampling resolution goes to infinity, we develop an alternative algorithm that, by gathering increments of multiple Brownian bridges, achieves their infinite-resolution accuracy while simultaneously reducing the computational cost by orders of magnitude. We prove and experimentally validate our theoretical claims, and demonstrate our method's effectiveness in real-world applications. We further show that our method can readily extend to the 3-dimensional space.

Retrieval-Augmented Generation (RAG) improves pre-trained models by incorporating external knowledge at test time to enable customized adaptation. We study the risk of datastore leakage in Retrieval-In-Context RAG Language Models (LMs). We show that an adversary can exploit LMs' instruction-following capabilities to easily extract text data verbatim from the datastore of RAG systems built with instruction-tuned LMs via prompt injection. The vulnerability exists for a wide range of modern LMs that span Llama2, Mistral/Mixtral, Vicuna, SOLAR, WizardLM, Qwen1.5, and Platypus2, and the exploitability exacerbates as the model size scales up. We also study multiple effects of RAG setup on the extractability of data, indicating that following unexpected instructions to regurgitate data can be an outcome of failure in effectively utilizing contexts for modern LMs, and further show that such vulnerability can be greatly mitigated by position bias elimination strategies. Extending our study to production RAG models, GPTs, we design an attack that can cause datastore leakage with a near-perfect success rate on 25 randomly selected customized GPTs with at most 2 queries, and we extract text data verbatim at a rate of 41\% from a book of 77,000 words and 3\% from a corpus of 1,569,000 words by prompting the GPTs with only 100 queries generated by themselves.

Open-ended and AI-generating algorithms aim to continuously generate and solve increasingly complex tasks indefinitely, offering a promising path toward more general intelligence. To accomplish this grand vision, learning must occur within a vast array of potential tasks. Existing approaches to automatically generating environments are constrained within manually predefined, often narrow distributions of environments, limiting their ability to create any learning environment. To address this limitation, we introduce a novel framework, OMNI-EPIC, that augments previous work in Open-endedness via Models of human Notions of Interestingness (OMNI) with Environments Programmed in Code (EPIC). OMNI-EPIC leverages foundation models to autonomously generate code specifying the next learnable (i.e., not too easy or difficult for the agent’s current skill set) and interesting (e.g., worthwhile and novel) tasks. OMNI-EPIC generates both environments (e.g., an obstacle course) and reward functions (e.g., progress through the obstacle course quickly without touching red objects), enabling it, in principle, to create any simulatable learning task. We showcase the explosive creativity of OMNI-EPIC, which continuously innovates to suggest new, interesting learning challenges. We also highlight how OMNI-EPIC can adapt to reinforcement learning agents’ learning progress, generating tasks that are of suitable difficulty. Overall, OMNI-EPIC has the potential to endlessly create learnable and interesting environments, further propelling the development of self-improving AI systems and AI-Generating Algorithms.

Vision-language models (VLMs) can respond to queries about images in many languages. However, beyond language, culture affects how we see things. For example, individuals from Western cultures focus more on the central figure in an image while individuals from East Asian cultures attend more to scene context (Nisbett 2001). In this work, we characterize the Western bias of VLMs in image understanding and investigate the role that language plays in this disparity. We evaluate VLMs across subjective and objective visual tasks with culturally diverse images and annotations. We find that VLMs perform better on the Western split than on the East Asian split of each task. Through controlled experimentation, we trace one source of this bias in image understanding to the lack of diversity in language model construction. While inference in a language nearer to a culture can lead to reductions in bias, we show it is much more effective when that language was well-represented during text-only pre-training. Interestingly, this yields bias reductions even when prompting in English. Our work highlights the importance of richer representation of all languages in building equitable VLMs.

Diffusion models have shown preliminary success in virtual try-on (VTON) task. The typical dual-branch architecture comprises two UNets for implicit garment deformation and synthesized image generation respectively, and has emerged as the recipe for VTON task. Nevertheless, the problem remains challenging to preserve the shape and every detail of the given garment due to the intrinsic stochasticity of diffusion model. To alleviate this issue, we novelly propose to explicitly capitalize on visual correspondence as the prior to tame diffusion process instead of simply feeding the whole garment into UNet as the appearance reference. Specifically, we interpret the fine-grained appearance and texture details as a set of structured semantic points, and match the semantic points rooted in garment to the ones over target person through local flow warping. Such 2D points are then augmented into 3D-aware cues with depth/normal map of target person. The correspondence mimics the way of putting clothing on human body and the 3D-aware cues act as semantic point matching to supervise diffusion model training. A point-focused diffusion loss is further devised to fully take the advantage of semantic point matching. Extensive experiments demonstrate strong garment detail preservation of our approach, evidenced by state-of-the-art VTON performances on both VITON-HD and DressCode datasets. Code is publicly available at: https://github.com/HiDream-ai/SPM-Diff.

We propose a zero-shot method for generating images in arbitrary spaces (e.g., a sphere for 360◦ panoramas and a mesh surface for texture) using a pretrained image diffusion model. The zero-shot generation of various visual content using a pretrained image diffusion model has been explored mainly in two directions. First, Diffusion Synchronization–performing reverse diffusion processes jointly across different projected spaces while synchronizing them in the target space–generates high-quality outputs when enough conditioning is provided, but it struggles in its absence. Second, Score Distillation Sampling–gradually updating the target space data through gradient descent–results in better coherence but often lacks detail. In this paper, we reveal for the first time the interconnection between these two methods while highlighting their differences. To this end, we propose StochSync, a novel approach that combines the strengths of both, enabling effective performance with weak conditioning. Our experiments demonstrate that StochSync provides the best performance in 360◦ panorama generation (where image conditioning is not given), outperforming previous finetuning-based methods, and also delivers comparable results in 3D mesh texturing (where depth conditioning is provided) with previous methods.

High-quality preference data is essential for aligning foundation models with human values through preference learning. However, manual annotation of such data is often time-consuming and costly. Recent methods often adopt a self-rewarding approach, where the target model generates and annotates its own preference data, but this can lead to inaccuracies since the reward model shares weights with the target model, thereby amplifying inherent biases. To address these issues, we propose Anyprefer, a framework designed to synthesize high-quality preference data for aligning the target model. Anyprefer frames the data synthesis process as a cooperative two-player Markov Game, where the target model and the judge model collaborate together. Here, a series of external tools are introduced to assist the judge model in accurately rewarding the target model’s responses, mitigating biases in the rewarding process. In addition, a feedback mechanism is introduced to optimize prompts for both models, enhancing collaboration and improving data quality. The synthesized data is compiled into a new preference dataset, Anyprefer-V1, consisting of 58K high-quality preference pairs. Extensive experiments show that Anyprefer significantly improves model alignment performance across four main applications, covering 21 datasets, achieving average improvements of 18.55% in five natural language generation datasets, 3.66% in nine vision-language understanding datasets, 30.05% in three medical image analysis datasets, and 16.00% in four visuo-motor control tasks.

Decoding strategies play a pivotal role in text generation for modern language models, yet a puzzling gap divides theory and practice. Surprisingly, strategies that should intuitively be optimal, such as Maximum a Posteriori (MAP), often perform poorly in practice. Meanwhile, popular heuristic approaches like Top-$k$ and Nucleus sampling, which employ truncation and normalization of the conditional next-token probabilities, have achieved great empirical success but lack theoretical justifications. In this paper, we propose Decoding Game, a comprehensive theoretical framework which reimagines text generation as a two-player zero-sum game between Strategist, who seeks to produce text credible in the true distribution, and Nature, who distorts the true distribution adversarially. After discussing the decomposibility of multi-step generation, we derive the optimal strategy in closed form for one-step Decoding Game. It is shown that the adversarial Nature imposes an implicit regularization on likelihood maximization, and truncation-normalization methods are first-order approximations to the optimal strategy under this regularization. Additionally, by generalizing the objective and parameters of Decoding Game, near-optimal strategies encompass diverse methods such as greedy search, temperature scaling, and hybrids thereof. Numerical experiments are conducted to complement our theoretical analysis.

Masked diffusion models (MDMs) have shown promise in language modeling, yet their scalability and effectiveness in core language tasks, such as text generation and language understanding, remain underexplored. This paper establishes the first scaling law for MDMs, demonstrating a scaling rate comparable to autoregressive models (ARMs) and a relatively small compute gap. Motivated by their scalability, we train a family of MDMs with up to 1.1 billion (B) parameters to systematically evaluate their performance against ARMs of comparable or larger sizes. Fully leveraging the probabilistic formulation of MDMs, we propose a simple yet effective *unsupervised classifier-free guidance* that effectively exploits large-scale unpaired data, boosting performance for conditional inference. In language understanding, the 1.1B MDM outperforms the 1.1B TinyLlama model trained on the same data across four of eight zero-shot benchmarks. Notably, it achieves competitive math reasoning ability with the 7B Llama-2 model on the GSM8K dataset. In text generation, MDMs with 16 times more pre-training time offer a flexible trade-off against ARMs with the accelerated sampling technique KV-Cache: MDMs match ARMs in performance while being 1.4 times faster during sampling. Moreover, MDMs address challenging tasks for ARMs by effectively handling bidirectional reasoning and adapting to temporal shifts in data. Notably, a 1.1B MDM breaks the *reverse curse* encountered by much larger ARMs with significantly more data and computation, such as 13B Llama-2 and 175B GPT-3. Our code is available at https://github.com/ML-GSAI/SMDM.

The integration of deep learning into critical vision application areas has given rise to a necessity for techniques that can explain the rationale behind predictions. In this paper, we address this need by introducing Salvage, a novel removal-based explainability method for image classification. Our approach involves training an explainer model that learns the prediction distribution of the classifier on masked images. We first introduce the concept of Shapley-distributions, which offers a more accurate approximation of classification probability distributions than existing methods. Furthermore, we address the issue of unbalanced important and unimportant features. In such settings, naive uniform sampling of feature subsets often results in a highly unbalanced ratio of samples with high and low prediction likelihoods, which can hinder effective learning. To mitigate this, we propose an informed sampling strategy that leverages approximated feature importance scores, thereby reducing imbalance and facilitating the estimation of underrepresented features. After incorporating these two principles into our method, we conducted an extensive analysis on the ImageNette, MURA, WBC, and Pet datasets. The results show that Salvage outperforms various baseline explainability methods, including attention-, gradient-, and removal-based approaches, both qualitatively and quantitatively. Furthermore, we demonstrate that our explainer model can serve as a fully explainable classifier without a major decrease in classification performance, paving the way for fully explainable image classification.

Generating compact and sharply detailed 3D meshes poses a significant challenge for current 3D generative models. Different from extracting dense meshes from neural representation, some recent works try to model the native mesh distribution (i.e., a set of triangles), which generates more compact results as humans crafted. However, due to the complexity and variety of mesh topology, most of these methods are typically limited to generating meshes with simple geometry. In this paper, we introduce a generic and scalable mesh generation framework PivotMesh, which makes an initial attempt to extend the native mesh generation to large-scale datasets. We employ a transformer-based autoencoder to encode meshes into discrete tokens and decode them from face level to vertex level hierarchically. Subsequently, to model the complex typology, our model first learns to generate pivot vertices as coarse mesh representation and then generate the complete mesh tokens with the same auto-regressive Transformer. This reduces the difficulty compared with directly modeling the mesh distribution and further improves the model controllability. PivotMesh demonstrates its versatility by effectively learning from both small datasets like Shapenet, and large-scale datasets like Objaverse and Objaverse-xl. Extensive experiments indicate that PivotMesh can generate compact and sharp 3D meshes across various categories, highlighting its great potential for native mesh modeling.

Pre-trained multi-modal Vision-Language Models like CLIP are widely used off-the-shelf for a variety of applications. In this paper, we show that the common practice of individually exploiting the text or image encoders of these powerful multi-modal models is highly suboptimal for intra-modal tasks like image-to-image retrieval. We argue that this is inherently due to the CLIP-style inter-modal contrastive loss that does not enforce any intra-modal constraints, leading to what we call intra-modal misalignment. To demonstrate this, we leverage two optimization-based modality inversion techniques that map representations from their input modality to the complementary one without any need for auxiliary data or additional trained adapters. We empirically show that, in the intra-modal tasks of image-to-image and text-to-text retrieval, approaching these tasks inter-modally significantly improves performance with respect to intra-modal baselines on more than fifteen datasets. Additionally, we demonstrate that approaching a native inter-modal task (e.g. zero-shot image classification) intra-modally decreases performance, further validating our findings. Finally, we show that incorporating an intra-modal term in the pre-training objective or narrowing the modality gap between the text and image feature embedding spaces helps reduce the intra-modal misalignment. The code is publicly available at: https://github.com/miccunifi/Cross-the-Gap.

This paper proposes a new 3D molecule generation framework, called GOAT, for fast and effective 3D molecule generation based on the flow-matching optimal transport objective. Specifically, we formulate a geometric transport formula for measuring the cost of mapping multi-modal features (e.g., continuous atom coordinates and categorical atom types) between a base distribution and a target data distribution. Our formula is solved within a joint, equivariant, and smooth representation space. This is achieved by transforming the multi-modal features into a continuous latent space with equivariant networks. In addition, we find that identifying optimal distributional coupling is necessary for fast and effective transport between any two distributions. We further propose a mechanism for estimating and purifying optimal coupling to train the flow model with optimal transport. By doing so, GOAT can turn arbitrary distribution couplings into new deterministic couplings, leading to an estimated optimal transport plan for fast 3D molecule generation. The purification filters out the subpar molecules to ensure the ultimate generation quality. We theoretically and empirically prove that the proposed optimal coupling estimation and purification yield transport plan with non-increasing cost. Finally, extensive experiments show that GOAT enjoys the efficiency of solving geometric optimal transport, leading to a double speedup compared to the sub-optimal method while achieving the best generation quality regarding validity, uniqueness, and novelty.

Diffusion models for Text-to-Image (T2I) conditional generation have recently achieved tremendous success. Yet, aligning these models with user’s intentions still involves a laborious trial-and-error process, and this challenging alignment problem has attracted considerable attention from the research community. In this work, instead of relying on fine-grained linguistic analyses of prompts, human annotation, or auxiliary vision-language models, we use Mutual Information (MI) to guide model alignment. In brief, our method uses self-supervised fine-tuning and relies on a point-wise MI estimation between prompts and images to create a synthetic fine-tuning set for improving model alignment. Our analysis indicates that our method is superior to the state-of-the-art, yet it only requires the pre-trained denoising network of the T2I model itself to estimate MI, and a simple fine-tuning strategy that improves alignment while maintaining image quality. Code available at https://github.com/Chao0511/mitune.

Watermark has been widely deployed by industry to detect AI-generated images. The robustness of such watermark-based detector against evasion attacks in the white-box and black-box settings is well understood in the literature. However, the robustness in the no-box setting is much less understood. In this work, we propose a new transfer evasion attack to image watermark in the no-box setting. Our transfer attack adds a perturbation to a watermarked image to evade multiple surrogate watermarking models trained by the attacker itself, and the perturbed watermarked image also evades the target watermarking model. Our major contribution is to show that, both theoretically and empirically, watermark-based AI-generated image detector based on existing watermarking methods is not robust to evasion attacks even if the attacker does not have access to the watermarking model nor the detection API. Our code is available at: https://github.com/hifi-hyp/Watermark-Transfer-Attack.

Recent advances in Customized Concept Swapping (CCS) enable a text-to-image model to swap a concept in the source image with a customized target concept. However, the existing methods still face the challenges of $\textit{\textbf{inconsistency}}$ and $\textit{\textbf{inefficiency}}$. They struggle to maintain consistency in both the foreground and background during concept swapping, especially when the shape difference is large between objects. Additionally, they either require time-consuming training processes or involve redundant calculations during inference. To tackle these issues, we introduce InstantSwap, a new CCS method that aims to handle sharp shape disparity at speed. Specifically, we first extract the bbox of the object in the source image $\textit{automatically}$ based on attention map analysis and leverage the bbox to achieve both foreground and background consistency. For background consistency, we remove the gradient outside the bbox during the swapping process so that the background is free from being modified. For foreground consistency, we employ a cross-attention mechanism to inject semantic information into both source and target concepts inside the box. This helps learn semantic-enhanced representations that encourage the swapping process to focus on the foreground objects. To improve swapping speed, we avoid computing gradients at each timestep but instead calculate them periodically to reduce the number of forward passes, which improves efficiency a lot with a little sacrifice on performance. Finally, we establish a benchmark dataset to facilitate comprehensive evaluation. Extensive evaluations demonstrate the superiority and versatility of InstantSwap.

Learned image compression (LIC) has demonstrated superior rate-distortion (R-D) performance compared to traditional codecs, but is challenged by training inefficiency that could incur more than two weeks to train a state-of-the-art model from scratch. Existing LIC methods overlook the slow convergence caused by compacting energy in learning nonlinear transforms. In this paper, we first reveal that such energy compaction consists of two components, \emph{i.e.}, feature decorrelation and uneven energy modulation. On such basis, we propose a linear auxiliary transform (AuxT) to disentangle energy compaction in training nonlinear transforms. The proposed AuxT obtains coarse approximation to achieve efficient energy compaction such that distribution fitting with the nonlinear transforms can be simplified to fine details. We then develop wavelet-based linear shortcuts (WLSs) for AuxT that leverages wavelet-based downsampling and orthogonal linear projection for feature decorrelation and subband-aware scaling for uneven energy modulation. AuxT is lightweight and plug-and-play to be integrated into diverse LIC models to address the slow convergence issue. Experimental results demonstrate that the proposed approach can accelerate training of LIC models by 2 times and simultaneously achieves an average 1\% BD-rate reduction. To our best knowledge, this is one of the first successful attempt that can significantly improve the convergence of LIC with comparable or superior rate-distortion performance.

While image generation with diffusion models has achieved a great success, generating images of higher resolution than the training size remains a challenging task due to the high computational cost. Current methods typically perform the entire sampling process at full resolution and process all frequency components simultaneously, contradicting with the inherent coarse-to-fine nature of latent diffusion models and wasting computations on processing premature high-frequency details at early diffusion stages. To address this issue, we introduce an efficient $\textbf{Fre}$quency-aware $\textbf{Ca}$scaded $\textbf{S}$ampling framework, $\textbf{FreCaS}$ in short, for higher-resolution image generation. FreCaS decomposes the sampling process into cascaded stages with gradually increased resolutions, progressively expanding frequency bands and refining the corresponding details. We propose an innovative frequency-aware classifier-free guidance (FA-CFG) strategy to assign different guidance strengths for different frequency components, directing the diffusion model to add new details in the expanded frequency domain of each stage. Additionally, we fuse the cross-attention maps of previous and current stages to avoid synthesizing unfaithful layouts. Experiments demonstrate that FreCaS significantly outperforms state-of-the-art methods in image quality and generation speed. In particular, FreCaS is about 2.86$\times$ and 6.07$\times$ faster than ScaleCrafter and DemoFusion in generating a 2048$\times$2048 image using a pretrained SDXL model and achieves an $\text{FID}_b$ improvement of 11.6 and 3.7, respectively. FreCaS can be easily extended to more complex models such as SD3. The source code of FreCaS can be found at https://github.com/xtudbxk/FreCaS.